2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine

C14H20FNO — CID 117347458

IUPAC2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine
SMILESCOc1ccc(CC2CCCCN2)cc1CF
InChIInChI=1S/C14H20FNO/c1-17-14-6-5-11(8-12(14)10-15)9-13-4-2-3-7-16-13/h5-6,8,13,16H,2-4,7,9-10H2,1H3
InChIKeyFBGBFYFSXOZUCP-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.85
Rot. Bonds4

About 2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine

2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine (PubChem CID 117347458) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine.

Molecular Properties

Compound Name2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine
PubChem CID117347458
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine
SMILESCOc1ccc(CC2CCCCN2)cc1CF
InChIInChI=1S/C14H20FNO/c1-17-14-6-5-11(8-12(14)10-15)9-13-4-2-3-7-16-13/h5-6,8,13,16H,2-4,7,9-10H2,1H3
InChIKeyFBGBFYFSXOZUCP-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine
CID 117408287
2-[(4-methoxy-3-phenylphenyl)methyl]piperidine
CID 117451820
2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117401448
2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine
CID 117355063
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386331
2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665
2-[(3,4-diethoxyphenyl)methyl]piperidine
CID 62791915
2-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84806173
2-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]piperidine
CID 82499355
2-[[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]piperidine
CID 117489930
2-[(5-cyclohexyl-2-methoxyphenyl)methyl]piperidine
CID 117464172

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine?
The IUPAC name of 2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine (CID 117347458) is 2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine.
What is the SMILES notation for 2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine?
The canonical SMILES for 2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine is COc1ccc(CC2CCCCN2)cc1CF.
What is the InChIKey of 2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine?
The InChIKey is FBGBFYFSXOZUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-17-14-6-5-11(8-12(14)10-15)9-13-4-2-3-7-16-13/h5-6,8,13,16H,2-4,7,9-10H2,1H3.
What are the key properties of 2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine?
2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine has a molecular weight of 237.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine is sourced from PubChem (CID 117347458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).